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Chemical ID: 4692489
Chemical ID:
4692489
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-3-chloro-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(CCl)C(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C18H17Cl2NO2/c1-18(2,11-19)17(23)21-15-9-8-13(20)10-14(15)16(22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,18,22,11,10,13,4,17,12,14,9,15,6,2,5,23,8,16,7/E:(1,2)(4,5)(6,7)/rA:23nCCCCClCONCCCCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1165 |
Area: | 538.605 |
Solvation: | -2.34861 |
Coulombic: | -32.5503 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.97 |
LogP (Chemaxon): | 5.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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